NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6662 8.2233 120.4820 54.2173 43.0119 173.6644 3 I 4.6457 8.2806 123.1487 59.2110 39.0138 173.4921 4 R 4.4764 9.2685 127.2293 54.4163 33.5008 174.0453 5 Y 4.9940 8.2966 120.3293 56.2360 40.5860 175.0652 6 F 4.7720 9.1610 121.8749 55.8540 43.0635 175.6245 7 G 4.2085 8.9347 111.4233 46.8575 0.0000 173.8297 8 T 4.2831 8.1561 114.3887 62.8186 69.1685 174.6741 9 T 4.5036 8.4649 116.0996 58.7082 71.3885 173.2745 10 P 4.1245 0.0000 0.0000 64.5231 31.4916 177.5626 11 R 4.3705 7.1265 117.7939 57.7339 31.1661 175.1263 12 Y 4.7778 7.5320 113.5405 56.2796 41.0537 172.6432 13 S 5.0190 8.3628 115.8366 56.6487 65.2944 175.2751 14 E 4.0497 8.5508 123.3542 59.0779 30.2259 176.9941 15 A 5.1795 8.2101 119.2382 50.1989 23.3330 175.3818 16 V 4.8939 9.3460 120.2178 61.0655 35.0907 174.6387 17 G 4.7558 9.3533 114.3719 44.6205 0.0000 172.1508 18 A 5.4894 9.0900 124.3506 50.7044 22.5083 176.5148 19 N 4.0866 9.9647 122.6752 54.5657 36.5692 174.3951 20 G 4.1294 8.1908 106.5254 45.3737 0.0000 173.6217 21 L 4.6511 7.9740 119.1577 54.6120 43.3893 176.4541 22 I 5.0370 8.5935 122.1519 59.6930 41.2820 174.2002 23 F 5.0115 9.5971 126.2576 55.7360 41.1108 174.7457 24 L 4.9809 8.5920 124.3451 53.2750 42.9970 177.0566 25 S 4.2370 8.7794 119.2346 58.5747 63.7540 175.9961 26 G 4.2349 8.0041 108.8574 44.9964 0.0000 173.2490 *28 V 3.5156 7.9503 111.3071 60.0470 32.4873 173.7188 29 P 4.3917 0.0000 0.0000 62.8346 31.6344 176.4118 30 E 4.5470 9.7536 121.8042 56.5865 31.2189 175.5856 31 N 4.9915 7.9072 113.8472 51.9493 42.7987 174.7094 32 G 4.1099 8.9415 103.7552 46.1466 0.0000 172.4014 33 E 4.4364 8.8420 117.7968 57.5097 31.7187 177.2600 34 T 4.3212 8.6093 109.0450 60.6531 71.1390 175.3141 35 A 3.9848 8.4665 122.4810 55.1955 18.3837 179.6446 36 A 3.9307 7.9572 118.6813 55.5466 18.5864 179.6066 37 E 3.9490 8.0333 116.5473 59.6134 29.4101 179.7406 38 Q 3.9717 8.2493 118.1246 59.1118 28.7351 178.5935 39 T 3.7760 8.1961 116.8659 66.6526 68.5958 176.3473 40 A 3.8835 7.9762 122.5237 55.2818 18.4299 179.2381 41 D 4.2416 7.9619 116.4598 57.2152 41.2699 178.7239 42 V 3.4798 7.9729 119.1310 66.0358 31.5412 178.1229 43 L 3.4374 7.9128 118.7022 57.3894 41.3178 179.3914 44 A 4.0352 7.7284 120.4075 55.1700 18.2867 179.7464 45 Q 3.9709 7.9526 116.1678 59.0342 28.7763 178.8425 46 I 3.8547 7.8819 120.8552 64.6023 37.2050 178.0037 47 D 4.5354 8.5712 120.0101 57.4758 40.7209 178.9810 48 R 3.7133 7.8383 118.5320 59.3521 30.0598 178.6922 49 W 4.2553 8.1650 118.6589 59.5410 29.0158 178.3477 50 L 3.9652 8.2693 118.9084 58.0712 41.0210 179.5486 51 A 4.1664 7.8931 121.6238 54.5879 18.0395 179.2488 52 E 3.9085 7.9829 116.9807 59.2373 29.7833 177.9016 53 C 3.9858 7.8140 114.0529 58.7963 28.5130 173.7273 54 G 3.7699 7.8724 109.3698 46.6302 0.0000 173.2817 55 S 5.0560 8.3812 114.4946 56.4856 65.7903 171.3790 56 D 4.6144 7.9726 119.1881 51.8800 41.6242 176.0570 57 K 3.7092 8.4343 117.8394 59.6805 32.2243 177.6534 58 A 4.1406 7.5203 120.2085 53.1885 18.5074 176.9985 59 H 4.8142 8.4801 113.9376 55.2777 30.0272 173.0355 60 V 4.3167 7.8205 119.2769 62.3579 32.5424 175.2918 61 L 4.4730 9.0357 127.3289 56.3886 43.3956 176.2384 62 D 5.3459 7.9062 116.6259 52.4738 45.3282 174.1139 63 A 5.0962 9.1528 126.3396 50.5004 22.7113 174.7677 64 V 4.4371 8.7513 123.5619 61.3807 33.7685 174.5138 65 I 4.6463 8.6415 129.3371 59.7672 39.5098 174.0639 66 Y 5.1575 9.2507 126.0245 56.4174 39.8656 174.7861 67 L 5.0763 8.5628 124.6727 52.9566 43.8588 177.7526 68 R 4.1026 8.6800 124.0199 58.7465 30.8294 175.2982 69 D 4.8158 7.6503 116.9482 52.8935 43.9032 174.8113 *71 G 3.9512 8.6108 104.5754 45.8291 0.0000 173.2308 72 D 4.7041 8.1351 118.6469 54.5075 41.1608 177.3851 73 Y 4.1008 8.3063 121.1982 60.8874 39.0993 177.3918 74 A 4.0457 8.2923 121.7677 55.4783 18.3868 180.5250 75 E 4.2278 7.5799 113.4264 57.1253 28.9164 178.8918 *77 N 4.6858 8.3573 119.0026 53.3349 40.6506 176.9963 78 G 3.7068 8.1368 104.0548 47.9848 0.0000 175.6194 79 V 3.7939 7.4805 119.8266 65.1398 31.5892 177.7588 80 W 4.2726 8.2440 127.6391 60.8857 30.3901 177.3972 81 D 4.4429 8.5443 117.4020 57.2750 40.3468 178.1821 82 A 4.2278 7.6870 118.8813 53.1681 18.7765 178.4148 83 W 4.3856 7.6463 126.0809 58.2796 31.8009 177.2664 84 V 2.8297 6.8458 110.0104 60.8335 31.7010 175.4807 85 A 3.8599 7.8330 125.7722 51.1426 18.5881 177.1213 86 A 3.9968 8.3988 126.4197 54.1189 18.6759 177.9681 87 G 4.0486 8.9742 110.4016 45.7328 0.0000 173.6220 88 R 4.6493 7.6857 118.8067 55.7411 31.1521 175.7418 89 T 4.0755 7.9164 107.9383 60.7308 69.8200 172.5612 90 P 4.7718 0.0000 0.0000 61.6162 33.3132 175.3790 91 A 4.2524 8.7098 121.9829 52.3539 19.2398 176.7574 92 R 5.1080 8.4956 120.3936 54.6625 33.7496 174.1185 93 A 4.6876 8.6690 125.4071 50.4567 23.1111 174.6340 94 C 4.9643 8.5525 120.8054 57.8119 34.3453 173.3804 95 V 4.5509 8.4657 118.5405 59.4461 36.1057 174.0580 96 E 5.1128 8.6802 122.9632 55.1793 30.7380 175.1630 97 A 4.7447 9.1091 128.1894 50.7162 23.0783 175.9609 98 R 4.1961 8.7074 121.0144 56.1025 31.1997 175.9665 99 L 4.7337 8.0584 119.7542 52.4998 44.5264 177.2818 100 A 4.0466 8.7554 121.5591 54.6830 18.7132 177.9718 101 R 4.3030 6.7723 113.2654 53.3722 33.8382 174.7331 102 P 4.2467 0.0000 0.0000 65.5908 31.4882 177.8246 103 E 4.1091 7.8115 115.9580 57.8361 29.7284 176.6749 104 W 4.7199 7.7754 119.4056 56.4912 29.2967 176.1943 105 R 4.7115 9.6454 123.2693 56.6246 31.2012 176.6348 106 V 5.0511 7.5643 117.2515 60.4031 34.6051 173.5024 107 E 4.7119 9.4943 123.7211 54.7385 33.3854 173.7715 108 I 5.0071 8.4492 126.4482 59.3675 40.4276 174.4259 109 K 4.6096 9.2991 128.9567 54.7584 34.3774 174.6332 110 I 5.0322 8.4441 127.7657 59.8947 40.3092 174.4545 111 T 4.8668 8.9632 122.7670 61.8236 71.3383 173.2967 112 A 5.0719 9.0479 127.4840 50.2282 23.3928 174.4524 113 V 4.8645 8.2964 116.6044 59.6628 34.2587 176.2859 114 K 4.2529 9.1468 122.8590 56.6680 31.9868 177.9559 115 R 3.7817 8.5479 123.0408 57.7759 30.3706 176.8009 116 D 4.8937 8.1210 121.5014 54.3705 40.1957 174.5038 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 D 8.22 4.67 0.00 2.70 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 I 8.28 4.65 1.64 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.62 0.26 0.00 0.00 4 R 9.27 4.48 0.00 1.64 1.40 0.00 3.01 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.53 0.00 5 Y 8.30 4.99 0.00 2.72 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 F 9.16 4.77 0.00 2.95 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 G 8.93 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 T 8.16 4.28 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 9 T 8.46 4.50 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 10 P 0.00 4.12 0.00 2.03 2.12 0.00 3.57 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 11 R 7.13 4.37 0.00 1.76 2.09 0.00 3.54 0.00 0.00 3.39 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.66 0.00 12 Y 7.53 4.78 0.00 3.20 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.36 5.02 0.00 3.93 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.55 4.05 0.00 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.09 0.00 15 A 8.21 5.18 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 9.35 4.89 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.10 0.00 0.00 17 G 9.35 4.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 9.09 5.49 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 N 9.96 4.09 0.00 2.81 2.86 0.00 0.00 7.42 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 8.19 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.97 4.65 0.00 1.92 1.55 1.04 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 22 I 8.59 5.04 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.65 0.89 0.00 0.00 23 F 9.60 5.01 0.00 2.91 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.59 4.98 0.00 1.58 1.60 1.03 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.78 4.24 0.00 3.76 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *28 V 7.95 3.52 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.27 0.00 0.00 29 P 0.00 4.39 0.00 1.92 1.90 0.00 2.45 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 30 E 9.75 4.55 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.18 0.00 31 N 7.91 4.99 0.00 2.77 2.67 0.00 0.00 7.12 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.94 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.84 4.44 0.00 1.90 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.33 0.00 34 T 8.61 4.32 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 35 A 8.47 3.98 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.96 3.93 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.03 3.95 0.00 2.20 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 38 Q 8.25 3.97 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.57 2.59 0.00 39 T 8.20 3.78 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 40 A 7.98 3.88 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 D 7.96 4.24 0.00 2.80 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 7.97 3.48 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.85 0.00 0.00 43 L 7.91 3.44 0.00 1.12 0.13 0.53 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.73 4.04 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 7.95 3.97 0.00 2.36 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.73 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 46 I 7.88 3.85 1.96 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.75 1.15 0.00 0.00 47 D 8.57 4.54 0.00 2.94 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 R 7.84 3.71 0.00 1.76 1.91 0.00 2.81 0.00 0.00 2.55 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.32 0.00 49 W 8.17 4.26 0.00 3.49 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.27 3.97 0.00 1.95 1.65 1.10 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.89 4.17 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 E 7.98 3.91 0.00 2.02 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.59 0.00 53 C 7.81 3.99 0.00 2.90 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 7.87 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 S 8.38 5.06 0.00 3.72 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 7.97 4.61 0.00 2.82 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.43 3.71 0.00 0.79 1.39 0.00 0.61 0.00 0.00 1.16 0.00 0.00 2.45 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.04 0.89 7.81 58 A 7.52 4.14 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 H 8.48 4.81 0.00 3.25 3.37 0.00 5.81 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.82 4.32 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.12 0.00 0.00 61 L 9.04 4.47 0.00 1.57 1.66 0.86 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 62 D 7.91 5.35 0.00 2.74 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 9.15 5.10 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.75 4.44 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.89 0.00 0.00 65 I 8.64 4.65 1.60 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.32 0.77 0.00 0.00 66 Y 9.25 5.16 0.00 2.85 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.56 5.08 0.00 1.65 1.74 1.05 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.68 4.10 0.00 2.01 2.02 0.00 3.09 0.00 0.00 3.02 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.45 0.00 69 D 7.65 4.82 0.00 2.71 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *71 G 8.61 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.14 4.70 0.00 2.95 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 Y 8.31 4.10 0.00 2.81 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.29 4.05 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 E 7.58 4.23 0.00 2.22 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 *77 N 8.36 4.69 0.00 2.80 2.78 0.00 0.00 6.88 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 G 8.14 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.48 3.79 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.07 0.00 0.00 80 W 8.24 4.27 0.00 3.47 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 D 8.54 4.44 0.00 2.78 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 A 7.69 4.23 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 W 7.65 4.39 0.00 3.21 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 V 6.85 2.83 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.78 0.00 0.00 85 A 7.83 3.86 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 8.40 4.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 G 8.97 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 R 7.69 4.65 0.00 1.63 1.77 0.00 3.08 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.44 0.00 89 T 7.92 4.08 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 90 P 0.00 4.77 0.00 2.25 2.36 0.00 3.99 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.25 0.00 91 A 8.71 4.25 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 R 8.50 5.11 0.00 1.82 1.69 0.00 2.21 0.00 0.00 3.01 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.19 0.00 93 A 8.67 4.69 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 C 8.55 4.96 0.00 2.84 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 V 8.47 4.55 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.99 0.00 0.00 96 E 8.68 5.11 0.00 1.97 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.49 0.00 97 A 9.11 4.74 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 R 8.71 4.20 0.00 1.80 1.87 0.00 3.16 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 99 L 8.06 4.73 0.00 1.95 1.90 1.12 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.76 4.05 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 R 6.77 4.30 0.00 0.67 1.16 0.00 2.73 0.00 0.00 2.89 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.50 0.00 102 P 0.00 4.25 0.00 1.96 2.05 0.00 3.45 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.01 0.00 103 E 7.81 4.11 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 104 W 7.78 4.72 0.00 3.50 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 R 9.65 4.71 0.00 1.83 2.00 0.00 3.17 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.87 0.00 106 V 7.56 5.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.92 0.00 0.00 107 E 9.49 4.71 0.00 2.03 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 108 I 8.45 5.01 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.76 0.96 0.00 0.00 109 K 9.30 4.61 0.00 1.96 1.77 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.48 7.81 110 I 8.44 5.03 1.94 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.96 0.99 0.00 0.00 111 T 8.96 4.87 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 112 A 9.05 5.07 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 V 8.30 4.86 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.00 0.00 0.00 114 K 9.15 4.25 0.00 1.62 1.78 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.66 1.61 7.81 115 R 8.55 3.78 0.00 1.70 1.87 0.00 2.98 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.54 0.00 116 D 8.12 4.89 0.00 2.74 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.